SCHEMBL4036579

SCHEMBL4036579

Cc1ccc(-c2ncc3c(n2)CCCCC3)nc1-c1ccncc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 6/20 0.38
CDK5R1 Q15078 6/20 0.38
CCNA2 P20248 4/20 0.38
CDK2 P24941 4/20 0.38
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
ROCK2 O75116 2/20 0.33
ROCK1 Q13464 2/20 0.33
PRKCI P41743 3/20 0.32
PRKCZ Q05513 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GRM5 P41594 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2981724 0.89 CDK5 (0.44) CDK5CDK5R1CCNA2CDK2CDK1
SCHEMBL2977002 0.85 CDK5 (0.38) CDK5CDK5R1CCNA2CDK2CDK1
SCHEMBL2972887 0.82 CYP11B2 (0.41) CDK5CDK5R1CCNA2CDK2CDK1
SCHEMBL2978113 0.82 CDK5 (0.36) CDK5CDK5R1CCNA2CDK2CDK1
SCHEMBL13888934 0.81 TNF (0.37) CDK5CDK5R1CCNA2CDK2CDK1
SCHEMBL2981102 0.79 CDK5 (0.43) CDK5CDK5R1CCNA2CDK2CDK1
SCHEMBL4039246 0.78 CDK5 (0.42) CDK5CDK5R1CCNA2CDK2CDK1
SCHEMBL2985558 0.77 CDK5 (0.43) CDK5CDK5R1CCNA2CDK2CDK1
SCHEMBL4042860 0.76 CDK5 (0.44) CDK5CDK5R1CCNA2CDK2
SCHEMBL2981517 0.72 CDK5 (0.43) CDK5CDK5R1CCNA2CDK2KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105072-A1 2-(Pyridin-2-Yl)-Pyrimidines for Use as Fungicides BASF SE (DE) 2009-04-23 US disclosed
EP-2010515-A1 2-(PYRIDIN-2-YL)-PYRIMIDINES FOR USE AS FUNGICIDES BASF SE (DE) 2009-01-07 EP disclosed
WO-2007116079-A1 2-(PYRIDIN-2-YL)-PYRIMIDINES FOR USE AS FUNGICIDES BASF SE (DE) 2007-10-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090105072-A1 2-(Pyridin-2-Yl)-Pyrimidines for Use as Fungicides CBR3, CBR1, CNPY2 CDK5 1001/4885CDK5R1 1264/4885CCNA2 584/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.